ChemSpider 2D Image | 4-{[(E)-(4-Pyridinylmethylene)amino]methyl}benzoic acid | C14H12N2O2

4-{[(E)-(4-Pyridinylmethylene)amino]methyl}benzoic acid

  • Molecular FormulaC14H12N2O2
  • Average mass240.257 Da
  • Monoisotopic mass240.089874 Da
  • ChemSpider ID30657392

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{[(E)-(4-Pyridinylmethylen)amino]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(E)-(4-Pyridinylmethylene)amino]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(E)-(4-pyridinylméthylène)amino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(1E)-4-pyridinylmethylene]amino]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 446.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 223.9±25.9 °C
Index of Refraction: 1.596
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 48.60
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 63 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 205.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement